5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole

C53H34N4 — CID 169014713

IUPAC5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3Cc3ccccc3-4)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-17-34(18-5-1)50-54-51(42-28-16-27-39-38-24-11-10-19-35(38)31-43(39)42)56-52(55-50)57-48-30-15-13-26-41(48)45-32-44-40-25-12-14-29-46(40)53(47(44)33-49(45)57,36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-30,32-33H,31H2
InChIKeyLTALWBLAAQHAHL-UHFFFAOYSA-N
MW726.88 g/mol
LogP12.24
Rot. Bonds5

About 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole

5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 169014713) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
PubChem CID169014713
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3Cc3ccccc3-4)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-17-34(18-5-1)50-54-51(42-28-16-27-39-38-24-11-10-19-35(38)31-43(39)42)56-52(55-50)57-48-30-15-13-26-41(48)45-32-44-40-25-12-14-29-46(40)53(47(44)33-49(45)57,36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-30,32-33H,31H2
InChIKeyLTALWBLAAQHAHL-UHFFFAOYSA-N
XLogP12.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
4-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130219353
aniline;2-bromo-9,9-diphenylfluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-12H-indeno[2,1-b]fluorene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;palladium;N,9,9-triphenylfluoren-2-amine
CID 159624312
triphenyl-[3-[4-phenyl-6-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]silane
CID 140762170
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165100535
9-(4-phenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,3,5-triazin-2-yl)carbazole
CID 122413287
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole (CID 169014713) is 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole is c1ccc(-c2nc(-c3cccc4c3Cc3ccccc3-4)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.
What is the InChIKey of 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?
The InChIKey is LTALWBLAAQHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-17-34(18-5-1)50-54-51(42-28-16-27-39-38-24-11-10-19-35(38)31-43(39)42)56-52(55-50)57-48-30-15-13-26-41(48)45-32-44-40-25-12-14-29-46(40)53(47(44)33-49(45)57,36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-30,32-33H,31H2.
What are the key properties of 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?
5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 726.88 g/mol, XLogP of 12.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 169014713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).